raulsofia/qm9

GEOM-QM9: Conformers (Mirrored) Note: This is a mirrored and lightly sanitized version of the GEOM-QM9 dataset. It contains a single 3D conformation for the molecules originally defined in the QM9 dataset. Credit for the original molecule compilation belongs to Ramakrishnan et al., while credit for the conformational sampling belongs to Axelrod and Gómez-Bombarelli. This repository exists to guarantee availability and exact reproducibility for downstream machine learning… See the full description on the dataset page: https://huggingface.co/datasets/raulsofia/qm9.